(4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

C20H16ClNO3 — CID 6306159

IUPAC(4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\C(C)=C\c3ccccc3)C(=O)O2)c(Cl)c1
InChIInChI=1S/C20H16ClNO3/c1-13(10-14-6-4-3-5-7-14)11-18-20(23)25-19(22-18)16-9-8-15(24-2)12-17(16)21/h3-12H,1-2H3/b13-10+,18-11-
InChIKeyPGWGHKWQYIXUOR-IWIADCQQSA-N
MW353.81 g/mol
LogP4.64
Rot. Bonds4

About (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

(4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 6306159) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID6306159
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name(4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\C(C)=C\c3ccccc3)C(=O)O2)c(Cl)c1
InChIInChI=1S/C20H16ClNO3/c1-13(10-14-6-4-3-5-7-14)11-18-20(23)25-19(22-18)16-9-8-15(24-2)12-17(16)21/h3-12H,1-2H3/b13-10+,18-11-
InChIKeyPGWGHKWQYIXUOR-IWIADCQQSA-N
XLogP4.64
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-(4-methoxyphenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 6952332
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6030089
4-[(3-bromophenyl)methylidene]-2-(2-chloro-4-methoxyphenyl)-1,3-oxazol-5-one
CID 3585246
2-(2-bromophenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 3109504
(4E)-2-(3-chlorophenyl)-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 689267
(4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 6536420
(4Z)-2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 831181
2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109549
(4Z)-4-[(4-butoxyphenyl)methylidene]-2-(2-chloro-4-methoxyphenyl)-1,3-oxazol-5-one
CID 6530567
(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668266
(4Z)-2-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6393867
(4E)-2-(3-bromophenyl)-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6990746

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 6306159) is (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is COc1ccc(C2=N/C(=C\C(C)=C\c3ccccc3)C(=O)O2)c(Cl)c1.
What is the InChIKey of (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is PGWGHKWQYIXUOR-IWIADCQQSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-13(10-14-6-4-3-5-7-14)11-18-20(23)25-19(22-18)16-9-8-15(24-2)12-17(16)21/h3-12H,1-2H3/b13-10+,18-11-.
What are the key properties of (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 353.81 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-chloro-4-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6306159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).